4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline

C12H11N3OS — CID 69451681

IUPAC4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline
SMILESNc1ccc(ON2C=Cc3sncc3C2)cc1
InChIInChI=1S/C12H11N3OS/c13-10-1-3-11(4-2-10)16-15-6-5-12-9(8-15)7-14-17-12/h1-7H,8,13H2
InChIKeyWDNPWCDWBQYRHY-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.51
Rot. Bonds2

About 4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline

4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline (PubChem CID 69451681) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline.

Molecular Properties

Compound Name4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline
PubChem CID69451681
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline
SMILESNc1ccc(ON2C=Cc3sncc3C2)cc1
InChIInChI=1S/C12H11N3OS/c13-10-1-3-11(4-2-10)16-15-6-5-12-9(8-15)7-14-17-12/h1-7H,8,13H2
InChIKeyWDNPWCDWBQYRHY-UHFFFAOYSA-N
XLogP2.51
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline?
The IUPAC name of 4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline (CID 69451681) is 4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline.
What is the SMILES notation for 4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline?
The canonical SMILES for 4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline is Nc1ccc(ON2C=Cc3sncc3C2)cc1.
What is the InChIKey of 4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline?
The InChIKey is WDNPWCDWBQYRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c13-10-1-3-11(4-2-10)16-15-6-5-12-9(8-15)7-14-17-12/h1-7H,8,13H2.
What are the key properties of 4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline?
4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline has a molecular weight of 245.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4H-[1,2]thiazolo[4,5-c]pyridin-5-yloxy)aniline is sourced from PubChem (CID 69451681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).